General Information of the Compound
| Compound ID |
CP0186211
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| Compound Name |
1-(2,6-Difluoro-benzyl)-5-(4-methoxy-phenyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
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| Structure |
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| Formula |
C29H30F2N4O3
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| Molecular Weight |
520.58
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| Canonical SMILES |
COc1ccc(cc1)-c1c(C)n(Cc2c(F)cccc2F)c(=O)n(CCN(C)CCc2ccccn2)c1=O
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| InChI |
InChI=1S/C29H30F2N4O3/c1-20-27(21-10-12-23(38-3)13-11-21)28(36)34(18-17-33(2)16-14-22-7-4-5-15-32-22)29(37)35(20)19-24-25(30)8-6-9-26(24)31/h4-13,15H,14,16-19H2,1-3H3
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| InChIKey |
BNWLRWBTEPFFPQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound